N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline

C18H21F2N — CID 43100376

IUPACN-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21F2N/c1-12(21-17-10-15(19)9-16(20)11-17)13-5-7-14(8-6-13)18(2,3)4/h5-12,21H,1-4H3
InChIKeyCHJMCGGBIGCFJX-UHFFFAOYSA-N
MW289.37 g/mol
LogP5.44
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline

N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline (PubChem CID 43100376) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
PubChem CID43100376
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21F2N/c1-12(21-17-10-15(19)9-16(20)11-17)13-5-7-14(8-6-13)18(2,3)4/h5-12,21H,1-4H3
InChIKeyCHJMCGGBIGCFJX-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.37
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476341
N-[1-(4-tert-butylphenyl)ethyl]-2,5-difluoroaniline
CID 43106797
3-bromo-N-[1-(4-tert-butylphenyl)ethyl]-5-methylaniline
CID 107582349
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
4-[1-(3-fluoro-5-methylanilino)ethyl]phenol
CID 79054695
N-[1-(4-tert-butylphenyl)ethyl]-3-methylsulfanylaniline
CID 43107208
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
N-[4-[(1S)-1-(3,5-difluoroanilino)ethyl]phenyl]ethanesulfonamide
CID 97306800
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline (CID 43100376) is N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline is CC(Nc1cc(F)cc(F)c1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline?
The InChIKey is CHJMCGGBIGCFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-12(21-17-10-15(19)9-16(20)11-17)13-5-7-14(8-6-13)18(2,3)4/h5-12,21H,1-4H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline?
N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline has a molecular weight of 289.37 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline is sourced from PubChem (CID 43100376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).